Base information
| Cat. No. | |
| CAS No. | 51981-33-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H12ClNO4S |
| Molecular Weight | 289.735 |
| Exact Mass | 289.018 |
| XLogP3 | 2.6982 |
| Mr | 68.0794 |
| PSA | 82.6 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Cc1oc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)Cl |
